Products 1246302-83-9

CAS 1246302-83-9 appears in our catalog under these names: 6 ALPHA-HYDROXY-5 ALPHA-CHOLESTANOL-D7, 6α-Hydroxy-5α-cholestane-d7, 99.0%. Offered by: Sigma-Aldrich, MedChemExpress. Available pack sizes: 1MG, 1 mg.

6 ALPHA-HYDROXY-5 ALPHA-CHOLESTANOL-D7
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 1960.00
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6α-Hydroxy-5α-cholestane-d7, 99.0%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 5158.74
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Structural formula: {0} (CAS {1})

(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol (CAS 1246302-83-9) is a chemical compound with the molecular formula C27H48O2 and a molecular weight of 411.7 g/mol. IUPAC name: (3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol. InChIKey: PMWTYEQRXYIMND-DNWVLYPESA-N.

Identity
Molecular formulaC27H48O2
Molecular weight411.7 g/mol
IUPAC name(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
InChIKeyPMWTYEQRXYIMND-DNWVLYPESA-N
SMILES[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: 6alpha-hydroxycholestanol(d7), 6alpha-hydroxy-5alpha-cholestanol-d7, 6|A-Hydroxy-5|A-cholestane-d7, cholestan-3beta,6alpha-diol(d7), (25,26,26,26,27,27,27-~2~H_7_)-5alpha-Cholestane-3beta,6alpha-diol, (3beta,5alpha,6alpha)-Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol, (3I(2),5I+/-,6I+/-)-Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol
Related forms of this compound
(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol C27H48O2
Isomers (same molecular formula)
5-henicosylbenzene-1,3-diol C27H48O2
(3S,5S,8R,9S,10S,13R,14S,15R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol C27H48O2
(3S,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol C27H48O2
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H48O2